Task 38682292

Name test_991-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND3066_0
Workunit 31623913
Created 27 Oct 2026, 7:15:11 UTC
Sent 27 Oct 2026, 7:15:15 UTC
Report deadline 1 Nov 2026, 7:15:15 UTC
Received 27 Oct 2026, 7:50:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609285
Run time 17 min 33 sec
CPU time 15 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 111,632.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.01 MB
Peak swap size 13.25 GB
Peak disk usage 3.89 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:33:41 (33612): wrapper (7.9.26016): starting
00:33:41 (33612): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
00:33:42 (33612): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:33:42 (33612): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\28\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\28\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
00:50:24 (33612): C:/Windows/system32/cmd.exe exited; CPU time 932.343750
00:50:24 (33612): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 21957567 bytes.
Dumping objects ->
{3835205} normal block at 0x00000249FC624C80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000249FC624F20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x00000249FC624EB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x00000249FC624890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x00000249FC624C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x00000249FE32A870, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x00000249FC61DF60, 8 bytes long.
 Data: <   &#254;I   > 00 00 0A FE 49 02 00 00 
{3833967} normal block at 0x00000249FC61DDD0, 8 bytes long.
 Data: < <8&#254;I   > 20 3C 38 FE 49 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000249FC621210, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000249FC60ED70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000249FC626550, 16 bytes long.
 Data: <8ib&#252;I           > 38 69 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000249FC626280, 16 bytes long.
 Data: < ib&#252;I           > 10 69 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000249FC61F520, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000249FC626230, 16 bytes long.
 Data: <&#232;hb&#252;I           > E8 68 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000249FC626410, 16 bytes long.
 Data: <&#192;hb&#252;I           > C0 68 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000249FC6261E0, 16 bytes long.
 Data: < hb&#252;I           > 98 68 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000249FC626050, 16 bytes long.
 Data: <phb&#252;I           > 70 68 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000249FC624A50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000249FC625FB0, 16 bytes long.
 Data: <  a&#252;I           > 08 8F 61 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000249FC61FB80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000249FC625B50, 16 bytes long.
 Data: <&#224;&#142;a&#252;I           > E0 8E 61 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000249FC6263C0, 16 bytes long.
 Data: <&#184;&#142;a&#252;I           > B8 8E 61 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000249FC625B00, 16 bytes long.
 Data: < &#142;a&#252;I           > 90 8E 61 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000249FC625EC0, 16 bytes long.
 Data: <h&#142;a&#252;I           > 68 8E 61 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000249FC626370, 16 bytes long.
 Data: <@&#142;a&#252;I           > 40 8E 61 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000249FC625BA0, 16 bytes long.
 Data: < &#142;a&#252;I           > 18 8E 61 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000249FC61F4C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000249FC626000, 16 bytes long.
 Data: <&#240; a&#252;I           > F0 8D 61 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000249FC618DF0, 320 bytes long.
 Data: < `b&#252;I   &#192;&#244;a&#252;I   > 00 60 62 FC 49 02 00 00 C0 F4 61 FC 49 02 00 00 
{279} normal block at 0x00000249FC625E20, 16 bytes long.
 Data: <Phb&#252;I           > 50 68 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000249FC625F60, 16 bytes long.
 Data: <(hb&#252;I           > 28 68 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000249FC61FA00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000249FC626500, 16 bytes long.
 Data: < hb&#252;I           > 00 68 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000249FC61F460, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000249FC625BF0, 16 bytes long.
 Data: <Hgb&#252;I           > 48 67 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000249FC625D80, 16 bytes long.
 Data: < gb&#252;I           > 20 67 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000249FC6260F0, 16 bytes long.
 Data: <&#248;fb&#252;I           > F8 66 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000249FC626190, 16 bytes long.
 Data: <&#208;fb&#252;I           > D0 66 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000249FC625650, 16 bytes long.
 Data: <&#168;fb&#252;I           > A8 66 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000249FC625F10, 16 bytes long.
 Data: < fb&#252;I           > 80 66 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000249FC625E70, 16 bytes long.
 Data: < Ib&#252;I           > 00 49 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000249FC624900, 40 bytes long.
 Data: <p^b&#252;I   p&#168;2&#254;I   > 70 5E 62 FC 49 02 00 00 70 A8 32 FE 49 02 00 00 
{265} normal block at 0x00000249FC625D30, 16 bytes long.
 Data: <`fb&#252;I           > 60 66 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000249FC626140, 16 bytes long.
 Data: <8fb&#252;I           > 38 66 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000249FC61F3A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000249FC625DD0, 16 bytes long.
 Data: < fb&#252;I           > 10 66 62 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000249FC626610, 992 bytes long.
 Data: <&#208;]b&#252;I   &#160;&#243;a&#252;I   > D0 5D 62 FC 49 02 00 00 A0 F3 61 FC 49 02 00 00 
{97} normal block at 0x00000249FC61F580, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000249FC61DBF0, 16 bytes long.
 Data: < &#233;a&#252;I           > 80 E9 61 FC 49 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000249FC61E980, 40 bytes long.
 Data: <&#240;&#219;a&#252;I    &#245;a&#252;I   > F0 DB 61 FC 49 02 00 00 80 F5 61 FC 49 02 00 00 
{74} normal block at 0x00000249FC61D420, 16 bytes long.
 Data: < &#234;.)&#246;           > 80 EA 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000249FC61D0B0, 16 bytes long.
 Data: <@&#233;.)&#246;           > 40 E9 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000249FC61D560, 16 bytes long.
 Data: <&#248;W+)&#246;           > F8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000249FC61D600, 16 bytes long.
 Data: <&#216;W+)&#246;           > D8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000249FC61D970, 16 bytes long.
 Data: <P +)&#246;           > 50 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000249FC61DB50, 16 bytes long.
 Data: <0 +)&#246;           > 30 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000249FC61D3D0, 16 bytes long.
 Data: <&#224; +)&#246;           > E0 02 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000249FC61DFB0, 16 bytes long.
 Data: <  +)&#246;           > 10 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000249FC61D060, 16 bytes long.
 Data: <p +)&#246;           > 70 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000249FC61DE70, 16 bytes long.
 Data: < &#192;))&#246;           > 18 C0 29 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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